|
urea; trans,trans
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
General
|
 Links to statistical data |
 Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C,N,O,S or H |
9941 |
1828 |
|
|
| any polar X-H (X= N,O or S) |
4938 |
599 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
C,H only
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any alkyl C-H |
4995 |
491 |
|
|
| methylene |
1998 |
123 |
|
|
| methyl |
1998 |
189 |
|
|
| any aromatic C-H |
4989 |
174 |
|
|
| substituted aromatic carbon |
422 |
15 |
|
|
| phenyl |
976 |
27 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
N-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any NH |
3493 |
202 |
|
|
| any uncharged NH |
3271 |
* |
|
|
| any cationic NH |
109 |
* |
|
|
| aromatic cationic N-H |
59 |
* |
|
|
| amide NH |
1665 |
94 |
|
|
| uncharged C(sp2)/C(ar)-NH2 |
15 |
* |
|
|
| cationic RNH3 |
18 |
18 |
|
|
| cationic R3NH |
3 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
O-H
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any OH |
1445 |
397 |
|
|
| alcohol OH |
213 |
17 |
|
|
| phenol OH |
18 |
85 |
|
|
| water |
548 |
295 |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Other N or O
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| aromatic or sp2 N |
318 |
1 |
|
|
| cyano |
100 |
|
|
|
| pyramidal R3N |
4 |
* |
|
|
| uncharged planar R3N |
36 |
|
|
|
| cationic planar R3N |
8 |
|
|
|
|
| any terminal O |
4963 |
390 |
|
|
| any C=O |
3537 |
390 |
|
|
| amide C=O |
1665 |
159 |
|
|
| ester C=O |
61 |
|
|
|
| carboxylate |
254 |
242 |
|
|
| aliphatic ether |
42 |
|
|
|
| linking O in esters |
20 |
|
|
|
| aromatic O |
3 |
|
|
|
| sulfoxide/sulfone O |
173 |
|
|
|
| nitro |
385 |
* |
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Sulfur
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any S |
815 |
22 |
|
|
| any C=S |
24 |
|
|
|
| aliphatic thioether |
4 |
22 |
|
|
| aromatic S |
37 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Halo/Halide
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| any C-F |
471 |
|
|
|
| any C-Cl |
161 |
|
|
|
| any C-Br |
39 |
|
|
|
| any C-I |
29 |
|
|
|
| chloride ion |
277 |
|
|
|
| bromide ion |
104 |
|
|
|
| iodide ion |
47 |
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/Halide|
Alkali Metal|
Amino acid
|
Alkali Metal
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| lithium ion |
|
|
|
|
| sodium ion |
1 |
|
|
|
| potassium ion |
62 |
|
|
|
| rubidium ion |
|
|
|
|
| cesuim ion |
|
|
|
|
* This search has not been done.
General|
C,H only|
N-H|
O-H|
Other N or O|
Sulfur|
Halo/halide|
Alkali Metal|
Amino acid
|
Amino acid
|
|
Links to statistical data |
Links to theoretical energy data |
| Contact Group |
CSD |
PDB |
Stats |
Theory |
| CONH2 |
37 |
29 |
|
|
| imidazole |
* |
33 |
|
|
| guanidinium |
* |
12 |
|
|
* This search has not been done.
|
|
